In order to study the dynamic mechanism of loop unfaulting, large-scale classical molecular dynamics simulations were performed which involved computational cells containing several millions of atoms. In order to induce dislocation loop unfaulting, 1ps-duration traction stress pulses were launched at a free surface of the computational box. In many cases, unfaulting was observed to involve both intuitive and complex dislocation processes involving multiple Shockley partial dislocations. In some instances, unfaulting was observed to occur via a sudden instability of the stacking fault; without any clear trace of dislocation reactions.

Transition Pathways in the Unfaulting of Dislocation Loops. A.Kubota, W.G.Wolfer: Materials Science and Engineering A, 2005, 400-401, 362-5